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Compound Information
SONAR Target prediction
Name:
NEOSTIGMINE BROMIDE
Unique Identifier:
SPE01500428
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
Molecular Weight:
284.045 g/mol
X log p:
8.357
(online calculus)
Lipinksi Failures
1
TPSA
29.54
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
3
Rotatable Bond Count:
4
Canonical Smiles:
[BrH-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Source:
synthetic
Therapeutics:
cholinergic
Found: 205 nonactive as graph:
single
|
with analogs
[1]
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[205]
Species:
4932
Condition:
BY4743
Replicates:
2
Raw OD Value:
r
im
0.9950±0
Normalized OD Score:
sc
h
0.9903±0
Z-Score:
0.3923±0
p-Value:
0.694866
Z-Factor:
-9.09496
Fitness Defect:
0.364
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum_ED
Plate Number and Position:
4|A10
Drug Concentration:
50.00 nM
OD Absorbance:
595 nm
Robot Temperature:
30.00 Celcius
Date:
2012-05-28 YYYY-MM-DD
Plate CH Control (+):
0.0955±0.00171
Plate DMSO Control (-):
0.9765±0.03223
Plate Z-Factor:
0.8844
png
ps
pdf
DBLink | Rows returned: 10
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1
2
46106
dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
46107
(3-dimethylaminophenyl) N-methylcarbamate
47058
trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
49115
[3-(dimethylcarbamoyloxy)phenyl]-dimethyl-azanium chloride
internal high similarity DBLink | Rows returned: 1
LOPAC 00212
1.0000
active
| Cluster 2833 | Additional Members: 5 | Rows returned: 0
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Mike Tyers Laboratory